Basic information
- CAS
72364-46-6- Standard SMILES
Fc1ccccc1CS- InChIKey
UMJTYEUXQGJEIZ-UHFFFAOYSA-N- Molecular formula
- C7H7FS
- Average molar mass
- 142.2 g/mol
- Monoisotopic mass
- 142.02524956
Names & identifiers
- Preferred name
- (2-Fluorophenyl)methanethiol
- IUPAC
- (2-fluorophenyl)methanethiol
- English name
- O-FLUOROBENZYL MERCAPTAN
- Molecular formula
- C7H7FS
- Molecular weight
- 142.19
Names & synonyms
(2-Fluorophenyl)methanethiolRefChem:395875674-549-572364-46-62-Fluorobenzyl mercaptanO-FLUOROBENZYL MERCAPTAN2-FluorobenzenemethanethiolMFCD000414672-fluorobenzylmercaptanSCHEMBL854208Benzenemethanethiol, 2-fluoro-(2-fluoro-phenyl)-methanethiol
Show more names
SCHEMBL1145372(2-Fluorophenyl)methanethiol #DTXSID80334870GEO-01428AKOS005257691AT13683FS-4368DB-222697
Database identifiers
- CAS
72364-46-6- PubChem CID
- 522175
- DTXSID
DTXSID80334870- EC Number
- 674-549-5
- Nikkaji
- J309.040J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Boiling point
- 196.8 · 196.8±15.0 °C(Predicted)
- Density
- 1.146 · 1.146±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature, keep dry and cool
- pka
- 9.07 · 9.07±0.10(Predicted)
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- RIDADR
- 2810 · UN2810
- HazardClass
- 6.1 · 6.1
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- ridadr
- UN2810
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 6.1
- Hazard statements
- H315-H319
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers23 total
杭州品高化工有限公司0571-87658025 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
山东李比希生物医药科技有限公司17866677155 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
河北晨药生物科技有限公司13273277291 17611379171 · [email protected]
Related reactions
6 records
Compound notes
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